Monitoring Gases Content in Modern Agriculture: A Density Functional Theory Study of the Adsorption Behavior and Sensing Properties of CO2 on MoS2 Doped GeSe Monolayer

In-situ synthesized N-doped ZnO for enhanced CO2 sensing: Experiments and DFT calculations

(2022) Yong Xia et al.   SENSORS AND ACTUATORS B-CHEMICAL

Adsorption and gas-sensing properties of Aun (n = 1–3) cluster doped MoTe2 for NH3, NO2, and SO2 gas molecules

(2022) Zhicheng Liu et al.   Surfaces and Interfaces

Density functional theory study of Pd, Pt, and Au modified GeSe for adsorption and sensing of dissolved gases in transformer oil

(2022) Xueru Wang et al.   Surfaces and Interfaces

DFT exploration of sensor performances of two-dimensional WO3 to ten small gases in terms of work function and band gap changes and I-V responses

(2021) Jia-Hui Li et al.   APPLIED SURFACE SCIENCE

Gas Sensor Based on Semihydrogenated and Semifluorinated h-BN for SF₆ Decomposition Components Detection

(2021) Zhirong Peng et al.   IEEE TRANSACTIONS ON ELECTRON DEVICES

Pd and Pt decorated GeSe monolayers as promising materials for SOF2 and SO2F2 sensing

(2021) Yao Wang et al.   APPLIED SURFACE SCIENCE

Sensing Characteristics of Toxic C₄F₇N Decomposition Products on Metallic- Nanoparticle Co-Doped BN Monolayer: A First Principles Study

(2021) Hao Sun et al.   IEEE SENSORS JOURNAL

First-principles calculations of adsorption sensitivity of Au-doped MoS2 gas sensor to main characteristic gases in oil

(2021) Tianyan Jiang et al.   JOURNAL OF MATERIALS SCIENCE

TiO2–Doped GeSe Monolayer: A highly selective gas sensor for SF6 decomposed species detection based on DFT method

(2021) Hao Sun et al.   APPLIED SURFACE SCIENCE

CO2 adsorption and dissociation on single and double iron atomic molybdenum disulfide catalysts: A DFT study

(2021) Chongchong Wu et al.   FUEL

Metal Oxide Nanoparticles (XO, X = Cu, Zn, Ni) Doped GeSe Monolayer: Theoretical Exploration of a Novel H2S Gas Sensor for Health and Industrial Monitoring

(2021) Hao Sun et al.   IEEE SENSORS JOURNAL

DFT study of CO2 adsorption properties on pristine, vacancy and doped graphenes

(2021) Chengrui Wang et al.   SOLID STATE COMMUNICATIONS

Adsorption and sensing performances of transition metal (Ag, Pd, Pt, Rh, and Ru) modified WSe2 monolayer upon SF6 decomposition gases (SOF2 and SO2F2)

(2021) Zhicheng Liu et al.   APPLIED SURFACE SCIENCE

Adsorption and sensing behaviors of SF6 decomposed species on Ni-doped C3N monolayer: A first-principles study

(2020) Hao Cui et al.   APPLIED SURFACE SCIENCE

Density Functional Theory Study on CO2 Adsorption by Ce-Promoted CaO in the Presence of Steam

(2020) Xianyao Yan et al.   ENERGY & FUELS

Comparison of sensing and electronic properties of C2H2 on different transition metal oxide nanoparticles (Fe2O3, NiO, TiO2) modified BNNT (10, 0)

(2020) Xin He et al.   APPLIED SURFACE SCIENCE

Adsorption and sensing of CO and C2H2 by S-defected SnS2 monolayer for DGA in transformer oil: A DFT study

(2020) Hao Cui et al.   MATERIALS CHEMISTRY AND PHYSICS

Advanced Optical Materials for Sunlight Control in Greenhouses

(2020) Gilles H. Timmermans et al.   Advanced Optical Materials

First-Principles Insight into Pd-Doped ZnO Monolayers as a Promising Scavenger for Dissolved Gas Analysis in Transformer Oil

(2020) Qian Zhou et al.   ACS Omega

Tellurene Nanoflake-Based NO2 Sensors with Superior Sensitivity and a Sub-Parts-per-Billion Detection Limit

(2020) Heping Cui et al.   ACS Applied Materials & Interfaces

Rh-doped h-BN monolayer as a high sensitivity SF6 decomposed gases sensor: A DFT study

(2020) Sheng-Yuan Xia et al.   APPLIED SURFACE SCIENCE

DFT study of SF6 decomposed products on Pd–TiO2: gas sensing mechanism study

(2019) Hao Sun et al.   ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY

Effect of Nickel Doping on Adsorption of SF6 Decomposition Products over MoS2 Surface

(2019) Yingang Gui et al.   JOM

First-principles insight into Ni-doped InN monolayer as a noxious gases scavenger

(2019) Hao Cui et al.   APPLIED SURFACE SCIENCE

A DFT study of dissolved gas (C2H2, H2, CH4) detection in oil on CuO-modified BNNT

(2019) Xin He et al.   APPLIED SURFACE SCIENCE

Scaling of greenhouse crop production in low sunlight scenarios

(2019) Kyle A. Alvarado et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Toxic gases molecules (NH 3 , SO 2 and NO 2 ) adsorption on GeSe monolayer with point defects engineering

(2018) Yuliang Mao et al.   CHEMICAL PHYSICS LETTERS

Two-dimensional GeSe for high performance thin-film solar cells

(2018) Xingshuai Lv et al.   Journal of Materials Chemistry A

Pristine and Cu decorated hexagonal InN monolayer, a promising candidate to detect and scavenge SF6 decompositions based on first-principle study

(2018) Dachang Chen et al.   JOURNAL OF HAZARDOUS MATERIALS

Pd-doped MoS2 monolayer: A promising candidate for DGA in transformer oil based on DFT method

(2018) Hao Cui et al.   APPLIED SURFACE SCIENCE

CO 2 -sensing properties and mechanism of nano-SnO 2 thick-film sensor

(2016) Dandan Wang et al.   SENSORS AND ACTUATORS B-CHEMICAL

A DFT study of the acid–base properties of anatase TiO 2 and tetragonal ZrO 2 by adsorption of CO and CO 2 probe molecules

(2016) Hsin-Yi Tiffany Chen et al.   SURFACE SCIENCE

GeSe monolayer semiconductor with tunable direct band gap and small carrier effective mass

(2015) Yonghong Hu et al.   APPLIED PHYSICS LETTERS

Experimental Sensing and Density Functional Theory Study of H2S and SOF2Adsorption on Au-Modified Graphene

(2015) Xiaoxing Zhang et al.   Advanced Science

A density functional theory (DFT) study of CO2 adsorption on Mg-rich minerals by enhanced charge distribution

(2014) Soonchul Kwon et al.   COMPUTATIONAL MATERIALS SCIENCE

DFT Study of CO2 Adsorption and Hydrogenation on the In2O3 Surface

(2012) Jingyun Ye et al.   Journal of Physical Chemistry C

A DFT-D study of structural and energetic properties of TiO2modifications

(2012) Jonas Moellmann et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Density functional theory with London dispersion corrections

(2011) Stefan Grimme   Wiley Interdisciplinary Reviews-Computational Molecular Science

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Time dependent density functional theory with DMol3

(2010) B Delley   JOURNAL OF PHYSICS-CONDENSED MATTER

Plant responses to low [CO2] of the past

(2010) Laci M. Gerhart et al.   NEW PHYTOLOGIST

Elevated CO2 effects on plant carbon, nitrogen, and water relations: six important lessons from FACE

(2009) Andrew D. B. Leakey et al.   JOURNAL OF EXPERIMENTAL BOTANY